Glycoside
...
GD029260

Name:
5-hydroxy-2-[(6-{[6-({6-[8'-(1-{1-hydroxy-7-[(4-methoxy-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-4-methoxy-6,6'-dimethyl-hexahydrospiro[oxane-2,4'-pyrano[3,4-f][1,3,5]trioxepine]oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxan-3-yl acetate

Formula:
C72H114O27

Smiles:
COC1=C[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@@H]6C[C@@H]7OCO[C@]8(C[C@H](OC)[C@H](O[C@@H]9C[C@H](OC)[C@H](O[C@@H]%10C[C@H](OC)[C@H](O[C@@H]%11C[C@H](OC)[C@H](O[C@@H]%12O[C@H](C)[C@H](O)[C@H](OC)[C@H]%12OC(C)=O)[C@H](C)O%11)[C@H](C)O%10)[C@H](C)O9)[C@H](C)O8)O[C@H]7[C@H](C)O6)[C@@]5(C)CC[C@H]43)C2)C1=O

Aglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(CC(OC)C(O)C(C)O5)OC4C(C)O3)C2)C1=O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 27 RingCount: 12
HBD: 2 FractionCSP3: 0.92
AlogP: 6.73 Num_rotatable_bonds: 20
MolWt: 1411.68 Num_heavy_atoms: 99
TPSA: 286.89 NumAromaticRings: 0

Unique Aglycone
AD03846
Formula: C42H64O13

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(CC(OC)C(O)C(C)O5)OC4C(C)O3)C2)C1=O
HBA: 13 RingCount: 8
HBD: 2 FractionCSP3: 0.88
AlogP: 5.05 Num_rotatable_bonds: 7
MolWt: 776.96 Num_heavy_atoms: 55
TPSA: 149.83 NumAromaticRings: 0

Sugarmoiety
SD02889

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1